8.20122

Benzamidine hydrochloride hydrate

for synthesis

• Synonyme(s) : Benzamidine hydrochloride hydrate
• Formule empirique (notation de Hill): C₇H₈N₂ · xHCl · yH₂O
• Numéro CAS: 206752-36-5
• Poids moléculaire : 120.15 (anhydrous free base basis)
• Numéro MDL: MFCD00066285
• Code UNSPSC : 12352107
• Numéro de classement CE : 216-795-4
• Nomenclature NACRES : NA.22

Propriétés

• Niveau de qualité: 200
• Pureté: ≥98.5% (HPLC)
• Forme: powder
• pH: 5 (20 °C, 50 g/L in H₂O)
• Pf: 80-84 °C
• Température de stockage: 2-30°C
• InChI: 1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
• Clé InChI: PXXJHWLDUBFPOL-UHFFFAOYSA-O

Description

Application

• Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.: This study investigates the interaction of benzamidine hydrochloride hydrate as a serine protease inhibitor, focusing on its binding mechanism in the presence of water molecules. Utilizing neutron crystallography, the research provides insights into the dynamic role of water in enhancing the binding affinity and stability of the inhibitor to trypsin. This understanding is crucial for the design of more effective protease inhibitors in pharmaceutical applications (Schiebel et al., 2018).

Remarque sur l'analyse

Assay (HPLC, area%): ≥ 98.5 % (a/a)
Water (K. F.): 7.0 - 13.0 %
Identity (IR): passes test

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable